Crystallography Open Database

Information card for entry 7717328

Preview

Coordinates	7717328.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	NV-515
Formula	C27 H23 Cl2 F2 O2 P
Calculated formula	C27 H23 Cl2 F2 O2 P
Title of publication	Oxaphosphiranes: isolable phosphorus-containing epoxide rings.
Authors of publication	Volk, Niklas; García Alcaraz, Antonio; Balasubramaniam, Selvakumar; Heumann, Jannik; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	48
Pages of publication	19351 - 19359
a	9.9779 ± 0.0006 Å
b	10.583 ± 0.0006 Å
c	12.6438 ± 0.0007 Å
α	109.434 ± 0.004°
β	102.726 ± 0.005°
γ	98.471 ± 0.005°
Cell volume	1192.3 ± 0.13 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0821
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	0.865
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297116 (current)	2025-01-06	cif/ Updating files of 7717326, 7717327, 7717328, 7717329, 7717330 Original log message: Adding full bibliography for 7717326--7717330.cif.	7717328.cif
295701	2024-11-01	cif/ Adding structures of 7717326, 7717327, 7717328, 7717329, 7717330 via cif-deposit CGI script.	7717328.cif